1-butan-2-ylpyrrolidine-2-carboxamide

C9H18N2O — CID 131201186

IUPAC1-butan-2-ylpyrrolidine-2-carboxamide
SMILESCCC(C)N1CCCC1C(N)=O
InChIInChI=1S/C9H18N2O/c1-3-7(2)11-6-4-5-8(11)9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12)
InChIKeySOVBEMDONBIJKW-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.73
Rot. Bonds3

About 1-butan-2-ylpyrrolidine-2-carboxamide

1-butan-2-ylpyrrolidine-2-carboxamide (PubChem CID 131201186) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-butan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butan-2-ylpyrrolidine-2-carboxamide
PubChem CID131201186
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-butan-2-ylpyrrolidine-2-carboxamide
SMILESCCC(C)N1CCCC1C(N)=O
InChIInChI=1S/C9H18N2O/c1-3-7(2)11-6-4-5-8(11)9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12)
InChIKeySOVBEMDONBIJKW-UHFFFAOYSA-N
XLogP0.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate
CID 43537409
ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate
CID 64662468
1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide
CID 178090497
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 134283914
(2S)-1-[(2R)-butan-2-yl]pyrrolidine-2-carbaldehyde
CID 89079851
1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide
CID 43752688
(2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide
CID 143351799
4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
CID 170367679
1-butan-2-yl-2-methylpyrrolidine;ethane
CID 166157977
1-butan-2-yl-2-fluoropyrrolidine
CID 167204489
1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 55016470

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-butan-2-ylpyrrolidine-2-carboxamide (CID 131201186) is 1-butan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-butan-2-ylpyrrolidine-2-carboxamide is CCC(C)N1CCCC1C(N)=O.
What is the InChIKey of 1-butan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is SOVBEMDONBIJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-7(2)11-6-4-5-8(11)9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 1-butan-2-ylpyrrolidine-2-carboxamide?
1-butan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 131201186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).